N'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide

C13H28N4O — CID 106710684

IUPACN'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide
SMILESCN1CCN(CCCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C13H28N4O/c1-13(2,12(14)15-18)6-4-5-7-17-10-8-16(3)9-11-17/h18H,4-11H2,1-3H3,(H2,14,15)
InChIKeyZFIKOZBWGIKVJS-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.18
Rot. Bonds6

About N'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide

N'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide (PubChem CID 106710684) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide
PubChem CID106710684
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC NameN'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide
SMILESCN1CCN(CCCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C13H28N4O/c1-13(2,12(14)15-18)6-4-5-7-17-10-8-16(3)9-11-17/h18H,4-11H2,1-3H3,(H2,14,15)
InChIKeyZFIKOZBWGIKVJS-UHFFFAOYSA-N
XLogP1.18
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710782
6-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710744
6-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710747
N'-hydroxy-2,2-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide
CID 77063833
5-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063823
N'-hydroxy-2,2-dimethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexanimidamide
CID 106711385
N'-hydroxy-4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylbutanimidamide
CID 77062967
N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide
CID 106710748
N'-hydroxy-2,2-dimethyl-4-piperidin-1-ylbutanimidamide
CID 77062923
6-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 107164198
N'-hydroxy-4-(4-methylpiperazin-1-yl)butanimidamide
CID 24689656
N'-hydroxy-2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide
CID 77063063

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide (CID 106710684) is N'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide is CN1CCN(CCCCC(C)(C)C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide?
The InChIKey is ZFIKOZBWGIKVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-13(2,12(14)15-18)6-4-5-7-17-10-8-16(3)9-11-17/h18H,4-11H2,1-3H3,(H2,14,15).
What are the key properties of N'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide?
N'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide has a molecular weight of 256.39 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide is sourced from PubChem (CID 106710684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).